Geometry & MOs

Info

ID:

314340

PubChem CID:

126621585

Reduced:

SN2H38C58 (1)

Stoich.:

AB2C38D58 (1)

Weight, g/mol:

553.04998

ΔHf, kcal/mol:

252.13

Dipole, Da:

1.13

IP(EA), eV:

 -7.95(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(3-bromophenyl)-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC(=CC=C5)C6=CC7=C(C=C6)N(C8=C7C=C9C=CC1=C(C9=C8)SC2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations